2-(hydroxymethyl)-5-[6-(methylsulfanylmethylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(methylsulfanylmethylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(methylsulfanylmethylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[(methylthio)methylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(methylsulfanylmethylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-[(methylthio)methylamino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C12H17N5O4S MolecularWeight: 327.35948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

CSCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C12H17N5O4S/c1-22-5-16-10-7-11(14-3-13-10)17(4-15-7)12-9(20)8(19)6(2-18)21-12/h3-4,6,8-9,12,18-20H,2,5H2,1H3,(H,13,14,16)